Detailed information for compound 770497

Basic information

Technical information
  • TDR Targets ID: 770497
  • Name: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4 -methoxyphenoxy)-9-methyl-4-oxopyrido[1,2-a]p yrimidin-3-yl]prop-2-enamide
  • MW: 494.52 | Formula: C24H22N4O6S
  • H donors: 1 H acceptors: 5 LogP: 1.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1c(Oc2ccc(cc2)OC)nc2n(c1=O)cccc2C)C(=O)NC1CCS(=O)(=O)C1
  • InChi: 1S/C24H22N4O6S/c1-15-4-3-10-28-21(15)27-23(34-19-7-5-18(33-2)6-8-19)20(24(28)30)12-16(13-25)22(29)26-17-9-11-35(31,32)14-17/h3-8,10,12,17H,9,11,14H2,1-2H3,(H,26,29)/b16-12+
  • InChiKey: FFMGPSCJXRLRNC-FOWTUZBSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • 2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • 2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enamide
  • (E)-2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enamide
  • 2-cyano-N-(1,1-diketothiolan-3-yl)-3-[4-keto-2-(4-methoxyphenoxy)-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylamide
  • (E)-2-cyano-N-(1,1-diketothiolan-3-yl)-3-[4-keto-2-(4-methoxyphenoxy)-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylamide
  • STOCK4S-44605

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi GUP1, putative 0.0021 0.0138 0.4183
Entamoeba histolytica recQ family helicase, putative 0.002 0.0122 0.3723
Leishmania major glycerol uptake protein, putative 0.0021 0.0138 0.0303
Loa Loa (eye worm) hypothetical protein 0.0033 0.0293 0.0996
Loa Loa (eye worm) hypothetical protein 0.0024 0.0184 0.0625
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2237
Brugia malayi MBOAT family protein 0.0021 0.0138 0.0243
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0021 0.0138 0.0125
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0138 0.4183
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0229
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0021 0.0138 0.2209
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0659 0.0647
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0021 0.0138 0.2209
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0184 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0467
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0622 0.2114
Onchocerca volvulus Huntingtin homolog 0.0119 0.1385 1
Echinococcus granulosus bloom syndrome protein 0.002 0.0122 0.0375
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0622 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0122 0.3723
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0293 0.0785
Brugia malayi hypothetical protein 0.0119 0.1385 0.4579
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0488 0.1658
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0329 1
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0021 0.0138 0.0427
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0622 0.208
Loa Loa (eye worm) hypothetical protein 0.0119 0.1385 0.4703
Onchocerca volvulus Huntingtin homolog 0.0119 0.1385 1
Schistosoma mansoni hypothetical protein 0.0033 0.0293 0.0996
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0622 1
Loa Loa (eye worm) MBOAT family protein 0.0241 0.2945 1
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0122 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0329 0.1079
Echinococcus multilocularis GPCR, family 2 0.0015 0.0068 0.0055
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0138 0.0467
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0122 0.0375
Brugia malayi follicle stimulating hormone receptor 0.0229 0.279 0.9461
Leishmania major glycerol uptake protein, putative 0.0021 0.0138 0.0303
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0138 0.4183
Schistosoma mansoni inositol monophosphatase 0.0036 0.0329 0.1116
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0329 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0329 0.0317
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0329 0.5
Brugia malayi MBOAT family protein 0.0021 0.0138 0.0243
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0467
Brugia malayi RNA binding protein 0.0062 0.0659 0.2055
Loa Loa (eye worm) hypothetical protein 0.002 0.0122 0.0416
Loa Loa (eye worm) RecQ helicase 0.002 0.0122 0.0416
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0329 1
Schistosoma mansoni hypothetical protein 0.0011 0.0012 0.0042
Leishmania major glycerol uptake protein, putative 0.0021 0.0138 0.0303
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0068 0.0229
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0021 0.0138 0.7476
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0138 0.4183
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0184 0.5595
Loa Loa (eye worm) hypothetical protein 0.0048 0.0488 0.1658
Loa Loa (eye worm) hypothetical protein 0.0119 0.1385 0.4703
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0122 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0138 0.0734
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0122 0.1966
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1614 0.546
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2237
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1614 0.5479
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0021 0.0138 0.0467
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0329 0.5281
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0021 0.0138 0.0125
Trichomonas vaginalis transmembrane protein nessy, putative 0.0021 0.0138 0.0734
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0622 0.0611
Loa Loa (eye worm) RNA binding protein 0.0062 0.0659 0.2237
Schistosoma mansoni zinc finger protein 0.0241 0.2945 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0622 1
Brugia malayi TAR-binding protein 0.0062 0.0659 0.2055
Echinococcus granulosus tar DNA binding protein 0.0062 0.0659 0.2204
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0138 0.4183
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0241 0.2945 1
Entamoeba histolytica hypothetical protein 0.0021 0.0138 0.4183
Brugia malayi hypothetical protein 0.0016 0.0074 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2237
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0122 0.0191
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0329 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0122 0.011
Toxoplasma gondii hypothetical protein 0.0021 0.0138 0.2209
Brugia malayi MBOAT family protein 0.0241 0.2945 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0329 0.4127
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0122 0.1966
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0241 0.2945 0.2936
Echinococcus granulosus zinc finger protein 0.022 0.268 0.9097
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0137 0.1614 0.5373
Schistosoma mansoni DNA helicase recq5 0.002 0.0122 0.0416
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0021 0.0138 0.0125
Echinococcus multilocularis zinc finger protein 0.022 0.268 0.2671
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0138 0.0467
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0138 0.4183
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0138 0.0125
Leishmania major glycerol uptake protein, putative 0.0021 0.0138 0.0303
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2237
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1614 0.1603
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0467
Brugia malayi MBOAT family protein 0.0021 0.0138 0.0243
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0659 0.2237
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0329 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1614 0.5479
Loa Loa (eye worm) MBOAT family protein 0.0021 0.0138 0.0467
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0138 0.0734
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0138 0.4183
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0229
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0229
Schistosoma mansoni hypothetical protein 0.0021 0.0138 0.0467
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0021 0.0138 0.2459
Schistosoma mansoni inositol monophosphatase 0.0036 0.0329 0.1116
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0138 0.0427
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0068 0.0188
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0068 0.0055
Brugia malayi hypothetical protein 0.0024 0.0184 0.0405
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0138 0.0467
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0122 0.0375
Trypanosoma brucei glycerol uptake protein, putative 0.0021 0.0138 0.0734
Trypanosoma cruzi GUP1, putative 0.0021 0.0138 0.4183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1614 0.546
Loa Loa (eye worm) hypothetical protein 0.001 0.00000000010293 0.00000000034948
Brugia malayi Hhat protein 0.0021 0.0138 0.0243
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0659 0.2055
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0138 0.0427
Leishmania major hypothetical protein, conserved 0.0024 0.0184 0.1231
Schistosoma mansoni DNA helicase recq1 0.002 0.0122 0.0416
Loa Loa (eye worm) inositol-1 0.0036 0.0329 0.1116
Loa Loa (eye worm) MBOAT family protein 0.0021 0.0138 0.0467
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0021 0.0138 0.0467
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0622 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0467
Trypanosoma brucei glycerol uptake protein, putative 0.0021 0.0138 0.0734
Echinococcus multilocularis bloom syndrome protein 0.002 0.0122 0.011
Entamoeba histolytica vacuolar protein sorting 26 0.0021 0.0138 0.4183
Brugia malayi diacylglycerol acyltransferase 0.0021 0.0138 0.0243
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0138 0.0125
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0622 0.2114
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0122 0.0191
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0068 0.0188
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1614 0.1603
Leishmania major glycerol uptake protein, putative 0.0021 0.0138 0.0303
Entamoeba histolytica hypothetical protein, conserved 0.0021 0.0138 0.4183
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0229
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0329 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.279 0.9473
Loa Loa (eye worm) hhat protein 0.0021 0.0138 0.0467
Loa Loa (eye worm) hhat protein 0.0021 0.0138 0.0467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1614 0.5479
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0488 0.1462
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0329 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0184 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0021 0.0138 0.0125
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0021 0.0138 0.0427
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0138 0.0125
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0659 0.2237
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0021 0.0138 0.0467
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0021 0.0138 0.0427
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0622 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0184 0.2955
Treponema pallidum alginate O-acetylation protein (algI) 0.0021 0.0138 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0021 0.0138 0.0467
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0122 0.0416
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0184 0.5595
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0021 0.0138 0.0467
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0622 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0122 0.0191
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0229
Trichomonas vaginalis porcupine, putative 0.0021 0.0138 0.0734
Echinococcus multilocularis sterol O acyltransferase 1 0.0021 0.0138 0.0125
Echinococcus granulosus sterol O acyltransferase 1 0.0021 0.0138 0.0427
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0184 1
Leishmania major hypothetical protein, conserved 0.0021 0.0138 0.0303
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0138 0.0427
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0281 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0184 0.2983
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0068 0.0055
Brugia malayi Inositol-1 0.0036 0.0329 0.0908
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0021 0.0138 0.0427
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0659 0.2237
Echinococcus granulosus GPCR family 2 0.0015 0.0068 0.0188
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0138 0.0734
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0137 0.1614 0.5479
Schistosoma mansoni sterol O-acyltransferase 1 0.0021 0.0138 0.0467
Brugia malayi MBOAT family protein 0.0021 0.0138 0.0243
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0488 0.1462

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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